SCHEMBL5336486

SCHEMBL5336486

Oc1cccc(-c2cnc3nc(-c4ccc(Cl)cc4)c(-c4ccc(Cl)cc4Cl)n3c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.39
AKT2 P31751 1/20 0.39
DPP4 P27487 5/20 0.39
DPP8 Q6V1X1 4/20 0.39
DPP9 Q86TI2 4/20 0.39
GRM5 P41594 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
CNR1 P21554 4/20 0.37
OPRL1 P41146 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5322231 0.89 AKT1 (0.48) AKT1AKT2GRM5CYP1A2CYP3A4
SCHEMBL5347503 0.85 NR4A2 (0.46) AKT1AKT2DPP4DPP8DPP9
SCHEMBL5320273 0.85 DPP4 (0.52) AKT1AKT2DPP4DPP8DPP9
SCHEMBL5344323 0.84 CYP3A4 (0.44) AKT1AKT2DPP4DPP8DPP9
SCHEMBL5352678 0.84 AKT1 (0.43) AKT1AKT2DPP4DPP8DPP9
SCHEMBL5336981 0.83 MAPT (0.41) AKT1AKT2DPP4DPP8DPP9
SCHEMBL5325683 0.81 AKT1 (0.51) AKT1AKT2SMN1; SMN2MAPTKMT2A
SCHEMBL5320900 0.81 DPP4 (0.52) AKT1AKT2DPP4DPP8DPP9
SCHEMBL5324489 0.80 FYN (0.45) DPP4DPP8DPP9CNR1
SCHEMBL5348641 0.80 DPP4 (0.39) AKT1AKT2DPP4DPP8DPP9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007096764-A2 BICYCLIC HETEROARYL DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLENMARK PHARMACEUTICALS S.A. (US) 2007-08-30 WO claimed
WO-2007096764-A2 BICYCLIC HETEROARYL DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLENMARK PHARMACEUTICALS S.A. (US) 2007-08-30 WO disclosed